2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile

C28H32FN5O — CID 118347593

IUPAC2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile
SMILESCCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1N1CCN(C(C)C)CC1
InChIInChI=1S/C28H32FN5O/c1-6-19-14-21-26(24(29)25(19)33-11-9-32(10-12-33)16(2)3)34(17(4)5)28-23(27(21)35)20-8-7-18(15-30)13-22(20)31-28/h7-8,13-14,16-17,31H,6,9-12H2,1-5H3
InChIKeyARYRCEAVAQHBFB-UHFFFAOYSA-N
MW473.60 g/mol
LogP5.32
Rot. Bonds4

About 2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile

2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile (PubChem CID 118347593) has the molecular formula C28H32FN5O and a molecular weight of 473.60 g/mol. Its IUPAC name is 2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile.

Molecular Properties

Compound Name2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile
PubChem CID118347593
Molecular FormulaC28H32FN5O
Molecular Weight473.60 g/mol
Exact Mass473.26
IUPAC Name2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile
SMILESCCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1N1CCN(C(C)C)CC1
InChIInChI=1S/C28H32FN5O/c1-6-19-14-21-26(24(29)25(19)33-11-9-32(10-12-33)16(2)3)34(17(4)5)28-23(27(21)35)20-8-7-18(15-30)13-22(20)31-28/h7-8,13-14,16-17,31H,6,9-12H2,1-5H3
InChIKeyARYRCEAVAQHBFB-UHFFFAOYSA-N
XLogP5.32
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.60
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-2-propyl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342529
3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342418
4-fluoro-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342602
3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342603
3-(4-methylpiperazin-1-yl)-11-oxo-2,5-di(propan-2-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342613
2-ethyl-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342621
2-bromo-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342636
2,4-difluoro-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342650
3-(4-methylpiperazin-1-yl)-2-(2-methylpropyl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118347646
9-Ethyl-6,11-dihydro-6,6-dimethyl-11-oxo-8-[4-(1-piperazinyl)-1-piperidinyl]-5H-benzo[b]carbazole-3-carbonitrile
CID 138751715
9-ethyl-6,6-dimethyl-8-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 66834333
5,5-dimethyl-11-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)-6H-pyrido[4,3-b]carbazole-8-carbonitrile
CID 66835043

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The IUPAC name of 2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile (CID 118347593) is 2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile.
What is the SMILES notation for 2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The canonical SMILES for 2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile is CCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1N1CCN(C(C)C)CC1.
What is the InChIKey of 2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The InChIKey is ARYRCEAVAQHBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O/c1-6-19-14-21-26(24(29)25(19)33-11-9-32(10-12-33)16(2)3)34(17(4)5)28-23(27(21)35)20-8-7-18(15-30)13-22(20)31-28/h7-8,13-14,16-17,31H,6,9-12H2,1-5H3.
What are the key properties of 2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile?
2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile has a molecular weight of 473.60 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile is sourced from PubChem (CID 118347593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).